SCHEMBL9506218

SCHEMBL9506218

CCCCCC(CCC(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CPB2 Q96IY4 2/20 0.46
DGKA P23743 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PAM P19021 2/20 0.41
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27906545 0.95 KMT2A (0.50) KMT2APOLBL3MBTL1CPB2DGKA
SCHEMBL4827840 0.91 DGKA (0.52) KMT2ACPB2DGKACYP1A2MAPT
SCHEMBL28353551 0.91 DGKA (0.52) KMT2ACPB2DGKACYP1A2MAPT
SCHEMBL2022724 0.91 DGKA (0.56) KMT2ACPB2DGKAMAPTALDH1A1
SCHEMBL13890084 0.89 L3MBTL1 (0.56) KMT2APOLBL3MBTL1CPB2CYP1A2
SCHEMBL9680715 0.88 CPB2 (0.43) KMT2APOLBL3MBTL1CPB2DGKA
SCHEMBL29242738 0.88 GRIK1 (0.49) KMT2APOLBL3MBTL1DGKACYP1A2
SCHEMBL11405747 0.88 DGKA (0.52) KMT2ACPB2DGKACYP1A2MAPT
SCHEMBL7898043 0.88 DGKA (0.52) KMT2ACPB2DGKACYP1A2MAPT
SCHEMBL29242740 0.88 DGKA (0.45) KMT2APOLBL3MBTL1CPB2DGKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338427-B1 PROCESS FOR THE PREPARATION OF ESTERS OLEFINIC UNSATURATED CARBOXYLIC ACIDS WITH A TERMINAL ESTER GROUP BASF Aktiengesellschaft (DE) 1993-08-18 EP disclosed
EP-0338427-A2 Process for the preparation of esters olefinic unsaturated carboxylic acids with a terminal ester group BASF Aktiengesellschaft (DE) 1989-10-25 EP disclosed